N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H22N4OS3 — CID 16576812

About N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 16576812) has the molecular formula C19H22N4OS3 and a molecular weight of 418.61 g/mol. Its IUPAC name is N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 16576812
• Molecular Formula: C19H22N4OS3
• Molecular Weight: 418.61 g/mol
• Exact Mass: 418.10
• IUPAC Name: N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CC(CNC(=O)CSc1nnc(NCCc2cccs2)s1)c1ccccc1
• InChI: InChI=1S/C19H22N4OS3/c1-14(15-6-3-2-4-7-15)12-21-17(24)13-26-19-23-22-18(27-19)20-10-9-16-8-5-11-25-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)(H,21,24)
• InChIKey: PXEYSGIOIFAPKD-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.61
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 16576812) is N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(CNC(=O)CSc1nnc(NCCc2cccs2)s1)c1ccccc1.

What is the InChIKey of N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is PXEYSGIOIFAPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS3/c1-14(15-6-3-2-4-7-15)12-21-17(24)13-26-19-23-22-18(27-19)20-10-9-16-8-5-11-25-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)(H,21,24).

What are the key properties of N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 418.61 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16576812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).